Information card for entry 2223369

Structure parameters

• Chemical name: Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate
• Formula: C12 H13 N O4
• Calculated formula: C12 H13 N O4
• SMILES: [nH]1c(cc2cc(OC)c(OC)cc12)C(=O)OC
• Title of publication: Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate
• Authors of publication: Monroe, Thomas Blake; Moazami, Yasamin; Jones, Daniel S.; Ogle, Craig A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2353
• a: 17.0768 ± 0.0019 Å
• b: 7.7232 ± 0.0011 Å
• c: 17.678 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2331.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes